(3S,5R)-5-amino-2-(hydroxymethyl)-3-methyloxan-3-ol

C7H15NO3 — CID 89051305

IUPAC(3S,5R)-5-amino-2-(hydroxymethyl)-3-methyloxan-3-ol
SMILESC[C@]1(O)C[C@@H](N)COC1CO
InChIInChI=1S/C7H15NO3/c1-7(10)2-5(8)4-11-6(7)3-9/h5-6,9-10H,2-4,8H2,1H3/t5-,6?,7+/m1/s1
InChIKeyXMYSUCINKXFURC-UYMSWOSGSA-N
MW161.20 g/mol
LogP-1.15
Rot. Bonds1

About (3S,5R)-5-amino-2-(hydroxymethyl)-3-methyloxan-3-ol

(3S,5R)-5-amino-2-(hydroxymethyl)-3-methyloxan-3-ol (PubChem CID 89051305) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (3S,5R)-5-amino-2-(hydroxymethyl)-3-methyloxan-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-amino-2-(hydroxymethyl)-3-methyloxan-3-ol
PubChem CID89051305
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(3S,5R)-5-amino-2-(hydroxymethyl)-3-methyloxan-3-ol
SMILESC[C@]1(O)C[C@@H](N)COC1CO
InChIInChI=1S/C7H15NO3/c1-7(10)2-5(8)4-11-6(7)3-9/h5-6,9-10H,2-4,8H2,1H3/t5-,6?,7+/m1/s1
InChIKeyXMYSUCINKXFURC-UYMSWOSGSA-N
XLogP-1.15
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-amino-2-(hydroxymethyl)-3-methyloxan-3-ol?
The IUPAC name of (3S,5R)-5-amino-2-(hydroxymethyl)-3-methyloxan-3-ol (CID 89051305) is (3S,5R)-5-amino-2-(hydroxymethyl)-3-methyloxan-3-ol.
What is the SMILES notation for (3S,5R)-5-amino-2-(hydroxymethyl)-3-methyloxan-3-ol?
The canonical SMILES for (3S,5R)-5-amino-2-(hydroxymethyl)-3-methyloxan-3-ol is C[C@]1(O)C[C@@H](N)COC1CO.
What is the InChIKey of (3S,5R)-5-amino-2-(hydroxymethyl)-3-methyloxan-3-ol?
The InChIKey is XMYSUCINKXFURC-UYMSWOSGSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(10)2-5(8)4-11-6(7)3-9/h5-6,9-10H,2-4,8H2,1H3/t5-,6?,7+/m1/s1.
What are the key properties of (3S,5R)-5-amino-2-(hydroxymethyl)-3-methyloxan-3-ol?
(3S,5R)-5-amino-2-(hydroxymethyl)-3-methyloxan-3-ol has a molecular weight of 161.20 g/mol, XLogP of -1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-amino-2-(hydroxymethyl)-3-methyloxan-3-ol is sourced from PubChem (CID 89051305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).